4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride

C18H22ClFN2O2 — CID 120588465

IUPAC4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1ccccc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-23-16(12-20)11-17(22)21-18(13-5-3-2-4-6-13)14-7-9-15(19)10-8-14;/h2-10,16,18H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyMZFXIHQQXLCMER-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.82
Rot. Bonds7

About 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120588465) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120588465
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1ccccc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-23-16(12-20)11-17(22)21-18(13-5-3-2-4-6-13)14-7-9-15(19)10-8-14;/h2-10,16,18H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyMZFXIHQQXLCMER-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]butanamide;hydrochloride
CID 120592927
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593754
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
CID 120591938
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
CID 120592001
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride (CID 120588465) is 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(c1ccccc1)c1ccc(F)cc1.Cl.
What is the InChIKey of 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is MZFXIHQQXLCMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-23-16(12-20)11-17(22)21-18(13-5-3-2-4-6-13)14-7-9-15(19)10-8-14;/h2-10,16,18H,11-12,20H2,1H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120588465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).